CID 3091232

1,6-hexanediylbis(2-aminobenzamide)

Structural Information

Molecular Formula
C20H26N4O2
SMILES
C1=CC=C(C(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=C2N)N
InChI
InChI=1S/C20H26N4O2/c21-17-11-5-3-9-15(17)19(25)23-13-7-1-2-8-14-24-20(26)16-10-4-6-12-18(16)22/h3-6,9-12H,1-2,7-8,13-14,21-22H2,(H,23,25)(H,24,26)
InChIKey
YJEULLIOUKINGM-UHFFFAOYSA-N
Compound name
2-amino-N-[6-[(2-aminobenzoyl)amino]hexyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

354.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 186.4
[M+Na]+ 377.19479 188.6
[M-H]- 353.19829 191.2
[M+NH4]+ 372.23939 197.1
[M+K]+ 393.16873 184.2
[M+H-H2O]+ 337.20283 176.6
[M+HCOO]- 399.20377 210.3
[M+CH3COO]- 413.21942 224.8
[M+Na-2H]- 375.18024 187.1
[M]+ 354.20502 183.5
[M]- 354.20612 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe